2,3,6,7,8,12b-Hexahydropyrazino[2,1-a][2]benzazepine-4(1H)-thione
[CAS# 98123-57-0]

Identification

• Name: 2,3,6,7,8,12b-Hexahydropyrazino[2,1-a][2]benzazepine-4(1H)-thione
• Synonyms: 1,2,3,7,8,12b-hexahydrobenzo[c]pyrazino[1,2-a]azepine-4(6H)-thione
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.34
• CAS Registry Number: 98123-57-0
• SMILES: S=C2CNCC1c3ccccc3CCCN12
• InChI: 1S/C13H16N2S/c16-13-9-14-8-12-11-6-2-1-4-10(11)5-3-7-15(12)13/h1-2,4,6,12,14H,3,5,7-9H2
• InChIKey: IFWWHGLMEJHVLG-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 383.693°C at 760 mmHg (Cal.)
• Flash point: 185.851°C (Cal.)